N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-4-methoxypiperidine-4-carboxamide

C22H25N3O3 — CID 119761237

IUPACN-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)CCNCC1
InChIInChI=1S/C22H25N3O3/c1-28-22(10-12-23-13-11-22)21(27)24-18-7-4-6-17(15-18)20(26)25-14-9-16-5-2-3-8-19(16)25/h2-8,15,23H,9-14H2,1H3,(H,24,27)
InChIKeyFMXOKOMVABUIAE-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.60
Rot. Bonds4

About N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-4-methoxypiperidine-4-carboxamide

N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-4-methoxypiperidine-4-carboxamide (PubChem CID 119761237) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-4-methoxypiperidine-4-carboxamide
PubChem CID119761237
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)CCNCC1
InChIInChI=1S/C22H25N3O3/c1-28-22(10-12-23-13-11-22)21(27)24-18-7-4-6-17(15-18)20(26)25-14-9-16-5-2-3-8-19(16)25/h2-8,15,23H,9-14H2,1H3,(H,24,27)
InChIKeyFMXOKOMVABUIAE-UHFFFAOYSA-N
XLogP2.60
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]acetamide
CID 26290520
2,3-dihydroindol-1-yl-(4-methoxypiperidin-4-yl)methanone
CID 119673107
4-(aminomethyl)-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]oxane-4-carboxamide
CID 120929329
4-methoxy-N-[3-[methyl(phenyl)carbamoyl]phenyl]piperidine-4-carboxamide;hydrochloride
CID 119714272
1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 60614335
4-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-methoxybutanamide
CID 120590924
N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]methanesulfonamide
CID 8001369
4-methoxy-N-[3-(pyridin-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119870520
1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-(2-hydroxyethyl)urea
CID 60614369
N-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]propanamide
CID 17309643
N-(3-ethylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119675705
4-methoxy-N-[4-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 119756449

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-4-methoxypiperidine-4-carboxamide (CID 119761237) is N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-4-methoxypiperidine-4-carboxamide is COC1(C(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)CCNCC1.
What is the InChIKey of N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-4-methoxypiperidine-4-carboxamide?
The InChIKey is FMXOKOMVABUIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-28-22(10-12-23-13-11-22)21(27)24-18-7-4-6-17(15-18)20(26)25-14-9-16-5-2-3-8-19(16)25/h2-8,15,23H,9-14H2,1H3,(H,24,27).
What are the key properties of N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-4-methoxypiperidine-4-carboxamide?
N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-4-methoxypiperidine-4-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119761237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).